methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

C14H20O7 — CID 10709325

IUPACmethyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C14H20O7/c1-12(2)18-7-6-14(11(16)17-5)10(8(15)9(7)19-12)20-13(3,4)21-14/h7,9-10H,6H2,1-5H3/t7-,9-,10+,14-/m1/s1
InChIKeyYVKWRYNZIZZWBS-QIPHIMSASA-N
MW300.31 g/mol
LogP0.54
Rot. Bonds1

About methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate

methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (PubChem CID 10709325) has the molecular formula C14H20O7 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
PubChem CID10709325
Molecular FormulaC14H20O7
Molecular Weight300.31 g/mol
Exact Mass300.12
IUPAC Namemethyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate
SMILESCOC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2
InChIInChI=1S/C14H20O7/c1-12(2)18-7-6-14(11(16)17-5)10(8(15)9(7)19-12)20-13(3,4)21-14/h7,9-10H,6H2,1-5H3/t7-,9-,10+,14-/m1/s1
InChIKeyYVKWRYNZIZZWBS-QIPHIMSASA-N
XLogP0.54
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The IUPAC name of methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate (CID 10709325) is methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate.
What is the SMILES notation for methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The canonical SMILES for methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is COC(=O)[C@@]12C[C@H]3OC(C)(C)O[C@H]3C(=O)[C@@H]1OC(C)(C)O2.
What is the InChIKey of methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
The InChIKey is YVKWRYNZIZZWBS-QIPHIMSASA-N. The full InChI is InChI=1S/C14H20O7/c1-12(2)18-7-6-14(11(16)17-5)10(8(15)9(7)19-12)20-13(3,4)21-14/h7,9-10H,6H2,1-5H3/t7-,9-,10+,14-/m1/s1.
What are the key properties of methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate?
methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,7R,9R)-5,5,11,11-tetramethyl-8-oxo-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-1-carboxylate is sourced from PubChem (CID 10709325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).